ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate

C20H26N4O4 — CID 110413335

IUPACethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(c2ccccc2)c2nnc(C)o2)CC1
InChIInChI=1S/C20H26N4O4/c1-3-27-20(26)24-11-9-16(10-12-24)21-18(25)13-17(15-7-5-4-6-8-15)19-23-22-14(2)28-19/h4-8,16-17H,3,9-13H2,1-2H3,(H,21,25)
InChIKeyMFMGKAWTMUSPKO-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.64
Rot. Bonds6

About ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate (PubChem CID 110413335) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
PubChem CID110413335
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Nameethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC(c2ccccc2)c2nnc(C)o2)CC1
InChIInChI=1S/C20H26N4O4/c1-3-27-20(26)24-11-9-16(10-12-24)21-18(25)13-17(15-7-5-4-6-8-15)19-23-22-14(2)28-19/h4-8,16-17H,3,9-13H2,1-2H3,(H,21,25)
InChIKeyMFMGKAWTMUSPKO-UHFFFAOYSA-N
XLogP2.64
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110415298
tert-butyl 4-(3,3-diphenylpropanoylamino)piperidine-1-carboxylate
CID 52731291
ethyl 4-[[2-(dimethylamino)-2-phenylacetyl]amino]piperidine-1-carboxylate
CID 47840553
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(1,2-diphenylethylamino)acetyl]amino]piperidine-1-carboxylate
CID 78818038
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 27954713
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571
ethyl 4-(3-phenylbutylcarbamoylamino)piperidine-1-carboxylate
CID 60614184
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[[2-(4-propan-2-ylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110766816
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866073

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate (CID 110413335) is ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC(c2ccccc2)c2nnc(C)o2)CC1.
What is the InChIKey of ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
The InChIKey is MFMGKAWTMUSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-3-27-20(26)24-11-9-16(10-12-24)21-18(25)13-17(15-7-5-4-6-8-15)19-23-22-14(2)28-19/h4-8,16-17H,3,9-13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110413335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).